| Site | Residue | pLDDT | pLDDT confidence | pLDDT10 | pLDDT10 confidence | SASA | SASA [Ų] | SASA10 | SASA10 [Ų] | RSA | RSA unformatted | RSA10 | RSA10 unformatted | Surface | Surface10 (not used) | Disorder (not used) | Disorder | Sec. str. | Secondary structure | Isomer | Phi (φ) | Psi (ψ) | Omega (ω) | Chi 1 (χ1) | Chi 2 (χ2) | Chi 3 (χ3) | Chi 4 (χ4) | Chi 5 (χ5) | Tau (τ) | Contacts (colored by PAE) | Contact details |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| 1 | M | 45.4 | Very low | 48.1 | Very low | 241 Ų | 241 | 131.6 Ų | 131.6 | 100% | 1.187 | 68% | 0.682 | S | S | * | * | 0 | 79.3 | 0 | -74.6 | 159.7 | 151.9 | 0 | 0 | 108.9 | |||||
| 2 | T | 44 | Very low | 49.8 | Very low | 122 Ų | 122 | 130.3 Ų | 130.3 | 75% | 0.748 | 67% | 0.67 | S | S | * | * | trans | -155 | -22 | 175.8 | 43.2 | 0 | 0 | 0 | 0 | 114.1 | ||||
| 3 | S | 47.7 | Very low | 51.6 | Low | 88 Ų | 88 | 124.1 Ų | 124.1 | 62% | 0.615 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -73.2 | -31.9 | -171.7 | 166.7 | 0 | 0 | 0 | 0 | 115.2 | Y5 | S3-Y5 VanDerWaalsContact C-N 3.3Å; S3-Y5 PolarHBondContact O-N 3.25Å |
| 4 | K | 46.3 | Very low | 53 | Low | 189 Ų | 189 | 123.6 Ų | 123.6 | 82% | 0.822 | 64% | 0.64 | S | S | * | * | H | α-helix | trans | -76.7 | -12.2 | -177 | -61.5 | -151.6 | 178.7 | -176 | 0 | 115.3 | ||
| 5 | Y | 42.3 | Very low | 54.5 | Low | 207 Ų | 207 | 127.2 Ų | 127.2 | 81% | 0.812 | 64% | 0.642 | S | S | * | * | H | α-helix | trans | -89 | -27.3 | 178.4 | -102.1 | -94.4 | 0 | 0 | 0 | 112.6 | S3 F9 | S3-Y5 VanDerWaalsContact C-N 3.3Å; S3-Y5 PolarHBondContact O-N 3.25Å; Y5-F9 VanDerWaalsContact O-CB 3.27Å; Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 2.77Å; Y5-F9 VanDerWaalsContact O-N 3.14Å |
| 6 | C | 38.9 | Very low | 56 | Low | 90 Ų | 90 | 125.1 Ų | 125.1 | 61% | 0.608 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -66.1 | -47.6 | 175.5 | -90.3 | 0 | 0 | 0 | 0 | 112.1 | S8 F9 E10 | C6-S8 PolarHBondContact O-N 3.15Å; C6-F9 PolarHBondContact O-N 3.49Å; C6-E10 PolarHBondContact O-N 3.41Å |
| 7 | D | 43.6 | Very low | 57.1 | Low | 109 Ų | 109 | 126 Ų | 126 | 58% | 0.583 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -65.8 | -35.9 | -178.3 | -72 | -50.4 | 0 | 0 | 0 | 112.9 | S11 | D7-S11 PolarHBondContact O-N 3.49Å |
| 8 | S | 49.5 | Very low | 58 | Low | 62 Ų | 62 | 122.2 Ų | 122.2 | 43% | 0.434 | 62% | 0.622 | S | S | . | * | H | α-helix | trans | -74.9 | -35.5 | 179.5 | -161.7 | 0 | 0 | 0 | 0 | 112 | C6 S11 Q12 | C6-S8 PolarHBondContact O-N 3.15Å; S8-S11 PolarHBondContact O-N 3.1Å; S8-Q12 WeakPolarHBondContact O-CG 3.41Å; S8-Q12 PolarHBondContact O-N 3.31Å |
| 9 | F | 49.6 | Very low | 59.1 | Low | 149 Ų | 149 | 125.9 Ų | 125.9 | 65% | 0.654 | 63% | 0.628 | S | S | * | * | H | α-helix | trans | -69.1 | -43.3 | 177.7 | -167.4 | -98.6 | 0 | 0 | 0 | 111.3 | Y5 C6 S11 Q12 V13 | Y5-F9 VanDerWaalsContact O-CB 3.27Å; Y5-F9 WeakPolarHBondContact O-CB 3.23Å; Y5-F9 PolarHBondContact O-N 2.77Å; Y5-F9 VanDerWaalsContact O-N 3.14Å; C6-F9 PolarHBondContact O-N 3.49Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 2.76Å; F9-Q12 PolarHBondContact O-N 3.11Å; F9-V13 HydrophobicContact CD1-CG2 3.94Å; F9-V13 HydrophobicContact CE1-CG2 3.74Å; F9-V13 HydrophobicContact CG-CG2 4.46Å; F9-V13 HydrophobicContact CZ-CG2 4.08Å; F9-V13 WeakPolarHBondContact O-CB 3.41Å; F9-V13 WeakPolarHBondContact O-CG2 3.03Å; F9-V13 PolarHBondContact O-N 3.2Å |
| 10 | E | 56.7 | Low | 59.7 | Low | 127 Ų | 127 | 124.8 Ų | 124.8 | 59% | 0.593 | 62% | 0.623 | S | S | * | * | H | α-helix | trans | -57.9 | -44.4 | 173.2 | -96.9 | -171.9 | 140 | 0 | 0 | 111.7 | C6 V13 L14 | C6-E10 PolarHBondContact O-N 3.41Å; E10-V13 PolarHBondContact O-N 3.12Å; E10-L14 WeakPolarHBondContact O-CB 3.44Å; E10-L14 WeakPolarHBondContact O-CD1 3.48Å; E10-L14 PolarHBondContact O-N 2.99Å |
| 11 | S | 65.1 | Low | 60 | Low | 64 Ų | 64 | 127 Ų | 127 | 45% | 0.448 | 63% | 0.625 | S | S | . | * | H | α-helix | trans | -67.6 | -38.3 | -179.1 | -161.4 | 0 | 0 | 0 | 0 | 113.3 | D7 S8 F9 R15 | D7-S11 PolarHBondContact O-N 3.49Å; S8-S11 PolarHBondContact O-N 3.1Å; F9-S11 VanDerWaalsContact C-N 3.32Å; F9-S11 PolarHBondContact O-N 2.76Å; S11-R15 WeakPolarHBondContact O-CB 3.38Å; S11-R15 VanDerWaalsContact O-CG 3.27Å; S11-R15 WeakPolarHBondContact O-CG 3.27Å; S11-R15 PolarHBondContact O-N 3.22Å; S11-R15 VanDerWaalsContact O-N 3.08Å |
| 12 | Q | 68.3 | Low | 60.7 | Low | 116 Ų | 116 | 119.4 Ų | 119.4 | 54% | 0.542 | 60% | 0.595 | S | S | . | * | H | α-helix | trans | -69.9 | -41.7 | 175.3 | -73.7 | -164.8 | 35.1 | 0 | 0 | 112.2 | S8 F9 R15 I16 | S8-Q12 WeakPolarHBondContact O-CG 3.41Å; S8-Q12 PolarHBondContact O-N 3.31Å; F9-Q12 PolarHBondContact O-N 3.11Å; Q12-R15 PolarHBondContact O-N 3.12Å; Q12-I16 WeakPolarHBondContact O-CG1 3.4Å; Q12-I16 PolarHBondContact O-N 3.38Å |
| 13 | V | 73.1 | Confident | 61.6 | Low | 49 Ų | 49 | 119.5 Ų | 119.5 | 30% | 0.297 | 59% | 0.59 | S | S | . | * | H | α-helix | trans | -61.5 | -47.8 | 176.5 | 171.9 | 0 | 0 | 0 | 0 | 109.8 | F9 E10 R15 I16 F17 | F9-V13 HydrophobicContact CD1-CG2 3.94Å; F9-V13 HydrophobicContact CE1-CG2 3.74Å; F9-V13 HydrophobicContact CG-CG2 4.46Å; F9-V13 HydrophobicContact CZ-CG2 4.08Å; F9-V13 WeakPolarHBondContact O-CB 3.41Å; F9-V13 WeakPolarHBondContact O-CG2 3.03Å; F9-V13 PolarHBondContact O-N 3.2Å; E10-V13 PolarHBondContact O-N 3.12Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.45Å; V13-I16 PolarHBondContact O-N 3.44Å; V13-I16 VanDerWaalsContact O-N 3.15Å; V13-F17 HydrophobicContact CG1-CD2 3.57Å; V13-F17 HydrophobicContact CG1-CE2 3.63Å; V13-F17 VanDerWaalsContact O-CD2 3.3Å; V13-F17 WeakPolarHBondContact O-CD2 3.25Å; V13-F17 PolarHBondContact O-N 3.06Å |
| 14 | L | 70.8 | Confident | 62.1 | Low | 117 Ų | 117 | 118.5 Ų | 118.5 | 61% | 0.613 | 59% | 0.587 | S | S | * | * | H | α-helix | trans | -57.6 | -38.6 | 174.6 | -89 | 150 | 0 | 0 | 0 | 113.1 | E10 A18 | E10-L14 WeakPolarHBondContact O-CB 3.44Å; E10-L14 WeakPolarHBondContact O-CD1 3.48Å; E10-L14 PolarHBondContact O-N 2.99Å; L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.12Å; L14-A18 PolarHBondContact O-N 3.27Å |
| 15 | R | 76 | Confident | 62.2 | Low | 178 Ų | 178 | 112.8 Ų | 112.8 | 67% | 0.672 | 57% | 0.571 | S | S | * | * | H | α-helix | trans | -68 | -39.3 | 175.7 | -78.1 | 173.6 | 140.1 | -167.3 | -4.4 | 113.2 | S11 Q12 V13 A18 R19 | S11-R15 WeakPolarHBondContact O-CB 3.38Å; S11-R15 VanDerWaalsContact O-CG 3.27Å; S11-R15 WeakPolarHBondContact O-CG 3.27Å; S11-R15 PolarHBondContact O-N 3.22Å; S11-R15 VanDerWaalsContact O-N 3.08Å; Q12-R15 PolarHBondContact O-N 3.12Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.45Å; R15-A18 PolarHBondContact O-N 3.41Å; R15-R19 WeakPolarHBondContact O-CB 3.22Å; R15-R19 WeakPolarHBondContact O-CG 3.49Å; R15-R19 PolarHBondContact O-N 2.98Å |
| 16 | I | 78.7 | Confident | 62.4 | Low | 93 Ų | 93 | 108 Ų | 108 | 48% | 0.477 | 56% | 0.564 | S | S | . | * | H | α-helix | trans | -67 | -45.1 | 175.8 | -69 | 164.7 | 0 | 0 | 0 | 109.5 | Q12 V13 A18 R19 L20 | Q12-I16 WeakPolarHBondContact O-CG1 3.4Å; Q12-I16 PolarHBondContact O-N 3.38Å; V13-I16 PolarHBondContact O-N 3.44Å; V13-I16 VanDerWaalsContact O-N 3.15Å; I16-A18 PolarHBondContact O-N 3.48Å; I16-R19 PolarHBondContact O-N 3.1Å; I16-L20 HydrophobicContact CG2-CD1 3.73Å; I16-L20 HydrophobicContact CG2-CG 4.37Å; I16-L20 WeakPolarHBondContact O-CB 3.33Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.17Å |
| 17 | F | 75.4 | Confident | 63 | Low | 141 Ų | 141 | 108.4 Ų | 108.4 | 62% | 0.618 | 56% | 0.564 | S | S | * | * | H | α-helix | trans | -60.7 | -42.7 | 174.1 | -90.2 | -81.5 | 0 | 0 | 0 | 112.1 | V13 R19 L20 Y21 | V13-F17 HydrophobicContact CG1-CD2 3.57Å; V13-F17 HydrophobicContact CG1-CE2 3.63Å; V13-F17 VanDerWaalsContact O-CD2 3.3Å; V13-F17 WeakPolarHBondContact O-CD2 3.25Å; V13-F17 PolarHBondContact O-N 3.06Å; F17-R19 PolarHBondContact O-N 3.29Å; F17-L20 PolarHBondContact O-N 3.05Å; F17-Y21 WeakPolarHBondContact O-CB 3.39Å; F17-Y21 PolarHBondContact O-N 3.14Å |
| 18 | A | 73.3 | Confident | 63.4 | Low | 57 Ų | 57 | 106.9 Ų | 106.9 | 47% | 0.471 | 56% | 0.562 | S | S | . | * | H | α-helix | trans | -63.8 | -39.5 | 175.9 | 0 | 0 | 0 | 0 | 0 | 112.3 | L14 R15 I16 C22 | L14-A18 VanDerWaalsContact O-CB 3.3Å; L14-A18 WeakPolarHBondContact O-CB 3.12Å; L14-A18 PolarHBondContact O-N 3.27Å; R15-A18 PolarHBondContact O-N 3.41Å; I16-A18 PolarHBondContact O-N 3.48Å; A18-C22 WeakPolarHBondContact O-CB 3.49Å; A18-C22 PolarHBondContact O-N 3.26Å |
| 19 | R | 77.3 | Confident | 63.7 | Low | 194 Ų | 194 | 114.7 Ų | 114.7 | 73% | 0.732 | 58% | 0.582 | S | S | * | * | H | α-helix | trans | -68.5 | -42.3 | 175.5 | -76.8 | -178.3 | 176.4 | -154.2 | -1.6 | 112.5 | R15 I16 F17 C22 L23 | R15-R19 WeakPolarHBondContact O-CB 3.22Å; R15-R19 WeakPolarHBondContact O-CG 3.49Å; R15-R19 PolarHBondContact O-N 2.98Å; I16-R19 PolarHBondContact O-N 3.1Å; F17-R19 PolarHBondContact O-N 3.29Å; R19-C22 PolarHBondContact O-N 3.15Å; R19-L23 WeakPolarHBondContact O-CB 3.43Å; R19-L23 PolarHBondContact O-N 3.17Å |
| 20 | L | 72.4 | Confident | 63.6 | Low | 102 Ų | 102 | 114.3 Ų | 114.3 | 53% | 0.534 | 58% | 0.582 | S | S | . | * | H | α-helix | trans | -66.1 | -40.5 | 175.6 | -75.6 | 167.6 | 0 | 0 | 0 | 111.4 | I16 F17 L23 A24 | I16-L20 HydrophobicContact CG2-CD1 3.73Å; I16-L20 HydrophobicContact CG2-CG 4.37Å; I16-L20 WeakPolarHBondContact O-CB 3.33Å; I16-L20 WeakPolarHBondContact O-CG 3.43Å; I16-L20 PolarHBondContact O-N 3.17Å; F17-L20 PolarHBondContact O-N 3.05Å; L20-L23 PolarHBondContact O-N 2.65Å; L20-A24 WeakPolarHBondContact O-CB 3.19Å; L20-A24 PolarHBondContact O-N 3.42Å |
| 21 | Y | 66.5 | Low | 63.3 | Low | 171 Ų | 171 | 113.8 Ų | 113.8 | 67% | 0.671 | 59% | 0.59 | S | S | * | * | H | α-helix | trans | -63.6 | -47.6 | 174.5 | -169.7 | -96.6 | 0 | 0 | 0 | 110.5 | F17 L23 A24 S25 | F17-Y21 WeakPolarHBondContact O-CB 3.39Å; F17-Y21 PolarHBondContact O-N 3.14Å; Y21-L23 PolarHBondContact O-N 3.36Å; Y21-A24 CarbonylContact O-C 3.59Å; Y21-A24 PolarHBondContact O-N 3.13Å; Y21-S25 VanDerWaalsContact O-CB 3.3Å; Y21-S25 WeakPolarHBondContact O-CB 3.36Å; Y21-S25 PolarHBondContact O-N 3.04Å; Y21-S25 PolarHBondContact O-OG 3.26Å |
| 22 | C | 60.1 | Low | 63 | Low | 82 Ų | 82 | 120.1 Ų | 120.1 | 55% | 0.554 | 61% | 0.609 | S | S | * | * | H | α-helix | trans | -58.2 | -46.4 | 172.6 | -91.9 | 0 | 0 | 0 | 0 | 112.9 | A18 R19 A24 S25 T26 | A18-C22 WeakPolarHBondContact O-CB 3.49Å; A18-C22 PolarHBondContact O-N 3.26Å; R19-C22 PolarHBondContact O-N 3.15Å; C22-A24 VanDerWaalsContact C-N 3.32Å; C22-A24 PolarHBondContact O-N 3.2Å; C22-S25 CarbonylContact O-C 3.58Å; C22-S25 PolarHBondContact O-N 3.5Å; C22-T26 WeakPolarHBondContact O-CG2 3.28Å; C22-T26 PolarHBondContact O-N 3.46Å; C22-T26 PolarHBondContact O-OG1 3.27Å |
| 23 | L | 62.3 | Low | 62.6 | Low | 124 Ų | 124 | 121.5 Ų | 121.5 | 65% | 0.649 | 62% | 0.615 | S | S | * | * | H | α-helix | trans | -62.2 | -39.9 | 177.7 | -118.9 | 73.8 | 0 | 0 | 0 | 111.8 | R19 L20 Y21 T26 T27 | R19-L23 WeakPolarHBondContact O-CB 3.43Å; R19-L23 PolarHBondContact O-N 3.17Å; L20-L23 PolarHBondContact O-N 2.65Å; Y21-L23 PolarHBondContact O-N 3.36Å; L23-T26 WeakPolarHBondContact CA-OG1 3.4Å; L23-T26 PolarHBondContact O-N 2.92Å; L23-T26 PolarHBondContact O-OG1 3.02Å; L23-T27 PolarHBondContact O-N 3.28Å |
| 24 | A | 57.3 | Low | 62.3 | Low | 67 Ų | 67 | 124 Ų | 124 | 55% | 0.554 | 63% | 0.633 | S | S | * | * | H | α-helix | trans | -69.2 | -34.2 | 175.8 | 0 | 0 | 0 | 0 | 0 | 112 | L20 Y21 C22 | L20-A24 WeakPolarHBondContact O-CB 3.19Å; L20-A24 PolarHBondContact O-N 3.42Å; Y21-A24 CarbonylContact O-C 3.59Å; Y21-A24 PolarHBondContact O-N 3.13Å; C22-A24 VanDerWaalsContact C-N 3.32Å; C22-A24 PolarHBondContact O-N 3.2Å |
| 25 | S | 48.8 | Very low | 62.1 | Low | 69 Ų | 69 | 124.3 Ų | 124.3 | 48% | 0.483 | 63% | 0.631 | S | S | . | * | H | α-helix | trans | -76.7 | -25.1 | 175.7 | -60.8 | 0 | 0 | 0 | 0 | 113.2 | Y21 C22 T27 | Y21-S25 VanDerWaalsContact O-CB 3.3Å; Y21-S25 WeakPolarHBondContact O-CB 3.36Å; Y21-S25 PolarHBondContact O-N 3.04Å; Y21-S25 PolarHBondContact O-OG 3.26Å; C22-S25 CarbonylContact O-C 3.58Å; C22-S25 PolarHBondContact O-N 3.5Å; S25-T27 VanDerWaalsContact C-N 3.31Å |
| 26 | T | 47.1 | Very low | 62.2 | Low | 108 Ų | 108 | 121.1 Ų | 121.1 | 66% | 0.663 | 63% | 0.625 | S | S | * | * | H | α-helix | trans | -77.8 | -13.6 | 173.4 | 48.5 | 0 | 0 | 0 | 0 | 113.6 | C22 L23 S28 | C22-T26 WeakPolarHBondContact O-CG2 3.28Å; C22-T26 PolarHBondContact O-N 3.46Å; C22-T26 PolarHBondContact O-OG1 3.27Å; L23-T26 WeakPolarHBondContact CA-OG1 3.4Å; L23-T26 PolarHBondContact O-N 2.92Å; L23-T26 PolarHBondContact O-OG1 3.02Å; T26-S28 PolarHBondContact O-N 3.14Å |
| 27 | T | 51.1 | Low | 62.2 | Low | 97 Ų | 97 | 124.6 Ų | 124.6 | 60% | 0.595 | 65% | 0.645 | S | S | * | * | S | Bend | trans | -75.4 | 87 | 158.3 | -59.6 | 0 | 0 | 0 | 0 | 106.8 | L23 S25 R29 | L23-T27 PolarHBondContact O-N 3.28Å; S25-T27 VanDerWaalsContact C-N 3.31Å; T27-R29 PolarHBondContact O-N 2.89Å |
| 28 | S | 51.4 | Low | 62.7 | Low | 78 Ų | 78 | 122.6 Ų | 122.6 | 55% | 0.545 | 65% | 0.648 | S | S | . | * | trans | -49.9 | 82.8 | 171.2 | 164.3 | 0 | 0 | 0 | 0 | 110.7 | T26 Q30 | T26-S28 PolarHBondContact O-N 3.14Å; S28-Q30 PolarHBondContact O-N 2.8Å; S28-Q30 WeakPolarHBondContact OG-CG 3.42Å; S28-Q30 PolarHBondContact OG-NE2 3.48Å | ||
| 29 | R | 55.9 | Low | 63.3 | Low | 226 Ų | 226 | 126.4 Ų | 126.4 | 85% | 0.853 | 66% | 0.656 | S | S | * | * | trans | -79.8 | 83.9 | 149.9 | -66.7 | -168.1 | -165.8 | -162.2 | 4.7 | 104.6 | T27 | T27-R29 PolarHBondContact O-N 2.89Š| ||
| 30 | Q | 48.8 | Very low | 63.6 | Low | 140 Ų | 140 | 122 Ų | 122 | 65% | 0.654 | 65% | 0.65 | S | S | * | * | trans | -51 | 130.5 | 160.5 | -64.9 | -58.9 | -48.3 | 0 | 0 | 106.4 | S28 K32 | S28-Q30 PolarHBondContact O-N 2.8Å; S28-Q30 WeakPolarHBondContact OG-CG 3.42Å; S28-Q30 PolarHBondContact OG-NE2 3.48Å; Q30-K32 PolarHBondContact O-N 2.89Å | ||
| 31 | P | 49.9 | Very low | 64.1 | Low | 117 Ų | 117 | 124 Ų | 124 | 76% | 0.76 | 66% | 0.657 | S | S | * | * | trans | -55 | 119.9 | 165.9 | 23.7 | -29.7 | 0 | 0 | 0 | 105.8 | H33 | P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 2.6Å | ||
| 32 | K | 57.5 | Low | 64.9 | Low | 197 Ų | 197 | 124.7 Ų | 124.7 | 86% | 0.857 | 66% | 0.659 | S | S | * | * | trans | -61.8 | 101.3 | 174.3 | -53.8 | -177.3 | -174.6 | -176.2 | 0 | 105.1 | Q30 | Q30-K32 PolarHBondContact O-N 2.89Š| ||
| 33 | H | 61.7 | Low | 66.2 | Low | 144 Ų | 144 | 125.5 Ų | 125.5 | 67% | 0.667 | 66% | 0.657 | S | S | * | * | trans | -46.5 | 139.4 | 161.4 | -173.2 | -86.8 | 0 | 0 | 0 | 106.2 | P31 E35 | P31-H33 VanDerWaalsContact C-N 3.29Å; P31-H33 PolarHBondContact O-N 2.6Å; H33-E35 PolarHBondContact O-N 3.22Å | ||
| 34 | P | 65.8 | Low | 67.3 | Low | 103 Ų | 103 | 121.9 Ų | 121.9 | 67% | 0.669 | 65% | 0.65 | S | S | * | * | trans | -48.1 | 112.6 | 174.5 | 20 | -30.8 | 0 | 0 | 0 | 106.6 | M36 | P34-M36 PolarHBondContact O-N 2.84Š| ||
| 35 | E | 66.1 | Low | 68.8 | Low | 123 Ų | 123 | 127.5 Ų | 127.5 | 58% | 0.575 | 66% | 0.657 | S | S | * | * | trans | -65.5 | 109.5 | -176 | -151.4 | 170.5 | -179.4 | 0 | 0 | 103.3 | H33 D37 Q41 | H33-E35 PolarHBondContact O-N 3.22Å; E35-D37 PolarHBondContact O-N 3.11Å; E35-D37 VanDerWaalsContact O-N 3.17Å; E35-Q41 HydrophobicContact CG-CG 4.45Å | ||
| 36 | M | 79.4 | Confident | 70.6 | Confident | 111 Ų | 111 | 128 Ų | 128 | 55% | 0.547 | 66% | 0.657 | S | S | . | * | trans | -73.1 | 111.7 | 175.6 | -140.8 | 170.8 | 53.6 | 0 | 0 | 103.5 | P34 S38 E39 | P34-M36 PolarHBondContact O-N 2.84Å; M36-S38 WeakPolarHBondContact CE-OG 3.38Å; M36-S38 WeakPolarHBondContact CG-OG 3.47Å; M36-S38 PolarHBondContact O-N 3.14Å; M36-E39 HydrophobicContact CB-CB 4.4Å; M36-E39 HydrophobicContact CE-CB 4.34Å; M36-E39 PolarHBondContact O-N 3.42Å | ||
| 37 | D | 78.3 | Confident | 72.5 | Confident | 166 Ų | 166 | 127 Ų | 127 | 89% | 0.888 | 65% | 0.647 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -57.7 | -14.9 | -177.9 | -61.5 | -36.1 | 0 | 0 | 0 | 112.6 | E35 | E35-D37 PolarHBondContact O-N 3.11Å; E35-D37 VanDerWaalsContact O-N 3.17Å |
| 38 | S | 86.1 | Confident | 74.4 | Confident | 99 Ų | 99 | 129.3 Ų | 129.3 | 69% | 0.692 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -81.8 | -14.6 | 173.7 | 51.5 | 0 | 0 | 0 | 0 | 114.8 | M36 | M36-S38 WeakPolarHBondContact CE-OG 3.38Å; M36-S38 WeakPolarHBondContact CG-OG 3.47Å; M36-S38 PolarHBondContact O-N 3.14Å |
| 39 | E | 85.1 | Confident | 76.4 | Confident | 137 Ų | 137 | 131 Ų | 131 | 64% | 0.64 | 66% | 0.658 | S | S | * | * | S | Bend | trans | -109 | 118.8 | 179.3 | -175 | 161 | -144.7 | 0 | 0 | 111.3 | M36 Q41 | M36-E39 HydrophobicContact CB-CB 4.4Å; M36-E39 HydrophobicContact CE-CB 4.34Å; M36-E39 PolarHBondContact O-N 3.42Å; E39-Q41 PolarHBondContact O-N 2.84Å |
| 40 | V | 83.5 | Confident | 78 | Confident | 101 Ų | 101 | 121.9 Ų | 121.9 | 61% | 0.612 | 63% | 0.627 | S | S | * | * | P | Polyproline II helix | trans | -75.9 | 120.9 | 178 | 64.7 | 0 | 0 | 0 | 0 | 110.7 | R42 | V40-R42 PolarHBondContact O-N 3.48Š|
| 41 | Q | 83.4 | Confident | 80.1 | Confident | 145 Ų | 145 | 119.9 Ų | 119.9 | 68% | 0.678 | 62% | 0.621 | S | S | * | * | P | Polyproline II helix | trans | -72.9 | 117.3 | 170.7 | -60.7 | -138 | -30.4 | 0 | 0 | 109.8 | E35 E39 | E35-Q41 HydrophobicContact CG-CG 4.45Å; E39-Q41 PolarHBondContact O-N 2.84Å |
| 42 | R | 83.3 | Confident | 82.2 | Confident | 185 Ų | 185 | 120 Ų | 120 | 70% | 0.698 | 62% | 0.616 | S | S | * | * | P | Polyproline II helix | trans | -91.9 | 141.6 | 175 | -65.7 | -172 | 173.5 | 95.7 | -2.8 | 110.3 | V40 G44 L47 | V40-R42 PolarHBondContact O-N 3.48Å; R42-G44 PolarHBondContact O-N 3.3Å; R42-L47 HydrophobicContact CB-CD1 4.03Å |
| 43 | D | 88.5 | Confident | 84 | Confident | 99 Ų | 99 | 114.3 Ų | 114.3 | 53% | 0.529 | 61% | 0.605 | S | S | . | * | trans | -68.6 | 112.5 | 174.1 | -176.1 | -3.6 | 0 | 0 | 0 | 110.1 | R45 V46 L47 | D43-R45 PolarHBondContact O-N 3.17Å; D43-R45 WeakPolarHBondContact OD1-CB 3.37Å; D43-R45 PolarHBondContact OD1-N 3.32Å; D43-V46 HydrophobicContact CB-CB 4.3Å; D43-V46 HydrophobicContact CB-CG2 3.94Å; D43-V46 PolarHBondContact O-N 3.36Å; D43-V46 VanDerWaalsContact O-N 3.07Å; D43-L47 PolarHBondContact O-N 3.34Å | ||
| 44 | G | 84.9 | Confident | 85.5 | Confident | 48 Ų | 48 | 115.3 Ų | 115.3 | 50% | 0.495 | 60% | 0.603 | S | S | . | * | H | α-helix | trans | -59.3 | -29.1 | 179.3 | 0 | 0 | 0 | 0 | 0 | 113.4 | R42 V46 L47 D48 | R42-G44 PolarHBondContact O-N 3.3Å; G44-V46 VanDerWaalsContact C-N 3.34Å; G44-L47 PolarHBondContact O-N 3.44Å; G44-D48 PolarHBondContact O-N 3.09Å; G44-D48 VanDerWaalsContact O-N 3.07Å |
| 45 | R | 88.8 | Confident | 86.7 | Confident | 184 Ų | 184 | 117.7 Ų | 117.7 | 69% | 0.694 | 60% | 0.599 | S | S | * | * | H | α-helix | trans | -68.5 | -35.4 | 176.4 | -177.7 | 176.9 | 175.5 | -117.6 | -2.2 | 111.8 | D43 L49 | D43-R45 PolarHBondContact O-N 3.17Å; D43-R45 WeakPolarHBondContact OD1-CB 3.37Å; D43-R45 PolarHBondContact OD1-N 3.32Å; R45-L49 HydrophobicContact CG-CD1 4.23Å; R45-L49 WeakPolarHBondContact O-CD1 3.43Å; R45-L49 VanDerWaalsContact O-CG 3.28Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.16Å |
| 46 | V | 86.9 | Confident | 88.2 | Confident | 79 Ų | 79 | 118.8 Ų | 118.8 | 48% | 0.479 | 60% | 0.604 | S | S | . | * | H | α-helix | trans | -68.9 | -42.5 | 176.1 | 176.1 | 0 | 0 | 0 | 0 | 109.9 | D43 G44 D48 L49 T50 | D43-V46 HydrophobicContact CB-CB 4.3Å; D43-V46 HydrophobicContact CB-CG2 3.94Å; D43-V46 PolarHBondContact O-N 3.36Å; D43-V46 VanDerWaalsContact O-N 3.07Å; G44-V46 VanDerWaalsContact C-N 3.34Å; V46-D48 VanDerWaalsContact C-N 3.29Å; V46-D48 PolarHBondContact O-N 3.13Å; V46-L49 PolarHBondContact O-N 3.13Å; V46-T50 PolarHBondContact O-N 3.07Å; V46-T50 VanDerWaalsContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.3Å; V46-T50 VanDerWaalsContact O-OG1 3.13Å |
| 47 | L | 87 | Confident | 89 | Confident | 89 Ų | 89 | 118.9 Ų | 118.9 | 47% | 0.466 | 61% | 0.606 | S | S | . | * | H | α-helix | trans | -63.1 | -32.4 | 177.6 | -65 | 177.2 | 0 | 0 | 0 | 113.6 | R42 D43 G44 | R42-L47 HydrophobicContact CB-CD1 4.03Å; D43-L47 PolarHBondContact O-N 3.34Å; G44-L47 PolarHBondContact O-N 3.44Å |
| 48 | D | 89.5 | Confident | 89.7 | Confident | 145 Ų | 145 | 120 Ų | 120 | 78% | 0.775 | 60% | 0.598 | S | S | * | * | H | α-helix | trans | -76.3 | -25.6 | 177.8 | -167.6 | 48.1 | 0 | 0 | 0 | 112.9 | G44 V46 | G44-D48 PolarHBondContact O-N 3.09Å; G44-D48 VanDerWaalsContact O-N 3.07Å; V46-D48 VanDerWaalsContact C-N 3.29Å; V46-D48 PolarHBondContact O-N 3.13Å |
| 49 | L | 93.3 | Very high | 90 | Very high | 114 Ų | 114 | 122.5 Ų | 122.5 | 60% | 0.597 | 60% | 0.603 | S | S | * | * | H | α-helix | trans | -85.9 | -28.4 | 179.1 | -71.8 | 170.5 | 0 | 0 | 0 | 113.3 | R45 V46 | R45-L49 HydrophobicContact CG-CD1 4.23Å; R45-L49 WeakPolarHBondContact O-CD1 3.43Å; R45-L49 VanDerWaalsContact O-CG 3.28Å; R45-L49 WeakPolarHBondContact O-CG 3.44Å; R45-L49 PolarHBondContact O-N 3.16Å; V46-L49 PolarHBondContact O-N 3.13Å |
| 50 | T | 91.1 | Very high | 90.4 | Very high | 33 Ų | 33 | 120.2 Ų | 120.2 | 20% | 0.202 | 60% | 0.6 | C | S | . | * | S | Bend | trans | -87.2 | 115 | -178.6 | -51.4 | 0 | 0 | 0 | 0 | 110.6 | V46 W54 R55 | V46-T50 PolarHBondContact O-N 3.07Å; V46-T50 VanDerWaalsContact O-N 3.13Å; V46-T50 PolarHBondContact O-OG1 3.3Å; V46-T50 VanDerWaalsContact O-OG1 3.13Å; T50-W54 HydrophobicContact CG2-CB 4.09Å; T50-W54 HydrophobicContact CG2-CD2 3.86Å; T50-W54 HydrophobicContact CG2-CE3 3.63Å; T50-W54 HydrophobicContact CG2-CG 4.09Å; T50-W54 HydrophobicContact CG2-CZ3 4.32Å; T50-R55 HydrophobicContact CG2-CG 3.53Å |
| 51 | D | 92.8 | Very high | 90.8 | Very high | 99 Ų | 99 | 125.3 Ų | 125.3 | 53% | 0.529 | 61% | 0.61 | S | S | . | * | trans | -77.4 | 165.6 | 174 | 68.2 | 12.2 | 0 | 0 | 0 | 112.8 | A53 W54 R55 | D51-A53 PolarHBondContact O-N 3.22Å; D51-A53 PolarHBondContact OD1-N 3.21Å; D51-W54 PolarHBondContact O-N 2.95Å; D51-W54 WeakPolarHBondContact OD1-CB 3.36Å; D51-W54 PolarHBondContact OD1-N 3.36Å; D51-R55 WeakPolarHBondContact O-CG 3.37Å; D51-R55 PolarHBondContact O-N 3.19Å; D51-R55 VanDerWaalsContact O-N 3.09Å | ||
| 52 | D | 93.3 | Very high | 91.2 | Very high | 120 Ų | 120 | 125.9 Ų | 125.9 | 64% | 0.642 | 61% | 0.612 | S | S | * | * | H | α-helix | trans | -64 | -30.8 | -177.6 | -67.4 | -28.3 | 0 | 0 | 0 | 112.3 | R55 E56 | D52-R55 PolarHBondContact O-N 3.07Å; D52-E56 WeakPolarHBondContact O-CG 3.48Å; D52-E56 PolarHBondContact O-N 3.39Å; D52-E56 VanDerWaalsContact O-N 3.16Å |
| 53 | A | 94.6 | Very high | 91.6 | Very high | 76 Ų | 76 | 124.7 Ų | 124.7 | 63% | 0.628 | 62% | 0.62 | S | S | * | * | H | α-helix | trans | -65.7 | -42.8 | 178 | 0 | 0 | 0 | 0 | 0 | 111.7 | D51 D57 | D51-A53 PolarHBondContact O-N 3.22Å; D51-A53 PolarHBondContact OD1-N 3.21Å; A53-D57 PolarHBondContact O-N 3.23Å; A53-D57 VanDerWaalsContact O-N 3.17Å |
| 54 | W | 94.8 | Very high | 91.6 | Very high | 165 Ų | 165 | 125.9 Ų | 125.9 | 63% | 0.625 | 63% | 0.631 | S | S | * | * | H | α-helix | trans | -71 | -33 | 176.2 | -174 | 15.8 | 0 | 0 | 0 | 112.2 | T50 D51 E56 D57 | T50-W54 HydrophobicContact CG2-CB 4.09Å; T50-W54 HydrophobicContact CG2-CD2 3.86Å; T50-W54 HydrophobicContact CG2-CE3 3.63Å; T50-W54 HydrophobicContact CG2-CG 4.09Å; T50-W54 HydrophobicContact CG2-CZ3 4.32Å; D51-W54 PolarHBondContact O-N 2.95Å; D51-W54 WeakPolarHBondContact OD1-CB 3.36Å; D51-W54 PolarHBondContact OD1-N 3.36Å; W54-E56 VanDerWaalsContact C-N 3.3Å; W54-E56 PolarHBondContact O-N 3.33Å; W54-D57 WeakPolarHBondContact O-CB 3.39Å; W54-D57 PolarHBondContact O-N 3.42Å |
| 55 | R | 91.2 | Very high | 91.8 | Very high | 153 Ų | 153 | 130.2 Ų | 130.2 | 58% | 0.577 | 65% | 0.647 | S | S | * | * | H | α-helix | trans | -64.4 | -35.4 | 176.5 | -72.9 | 175.5 | 63.3 | 168.6 | -2.4 | 113.3 | T50 D51 D52 | T50-R55 HydrophobicContact CG2-CG 3.53Å; D51-R55 WeakPolarHBondContact O-CG 3.37Å; D51-R55 PolarHBondContact O-N 3.19Å; D51-R55 VanDerWaalsContact O-N 3.09Å; D52-R55 PolarHBondContact O-N 3.07Å |
| 56 | E | 96.3 | Very high | 91.8 | Very high | 146 Ų | 146 | 126.3 Ų | 126.3 | 68% | 0.682 | 64% | 0.639 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -93.4 | -3 | -179.6 | -58.3 | -55.5 | 142.2 | 0 | 0 | 112.9 | D52 W54 | D52-E56 WeakPolarHBondContact O-CG 3.48Å; D52-E56 PolarHBondContact O-N 3.39Å; D52-E56 VanDerWaalsContact O-N 3.16Å; W54-E56 VanDerWaalsContact C-N 3.3Å; W54-E56 PolarHBondContact O-N 3.33Å |
| 57 | D | 95.6 | Very high | 92 | Very high | 113 Ų | 113 | 125.7 Ų | 125.7 | 60% | 0.604 | 64% | 0.637 | S | S | * | * | trans | -65.3 | 134.4 | 178.6 | -172.4 | 38.2 | 0 | 0 | 0 | 111.2 | A53 W54 | A53-D57 PolarHBondContact O-N 3.23Å; A53-D57 VanDerWaalsContact O-N 3.17Å; W54-D57 WeakPolarHBondContact O-CB 3.39Å; W54-D57 PolarHBondContact O-N 3.42Å | ||
| 58 | R | 94.3 | Very high | 92.1 | Very high | 189 Ų | 189 | 128.1 Ų | 128.1 | 71% | 0.713 | 65% | 0.65 | S | S | * | * | trans | -130.7 | 130.1 | -177.3 | -69 | 178.1 | 63.9 | 172.8 | -0.7 | 108.9 | ||||
| 59 | L | 92.5 | Very high | 92 | Very high | 153 Ų | 153 | 123.8 Ų | 123.8 | 80% | 0.801 | 63% | 0.631 | S | S | * | * | trans | -60.6 | 139.8 | 174.5 | -66.2 | 176.3 | 0 | 0 | 0 | 110.4 | ||||
| 60 | P | 93.3 | Very high | 91.7 | Very high | 88 Ų | 88 | 124.2 Ų | 124.2 | 57% | 0.571 | 63% | 0.63 | S | S | * | * | trans | -64.4 | 154.9 | 173.7 | 27.9 | -33.8 | 0 | 0 | 0 | 110.9 | E62 | P60-E62 HydrophobicContact CG-CG 4.41Å; P60-E62 PolarHBondContact O-N 2.81Å | ||
| 61 | Y | 91.9 | Very high | 91.6 | Very high | 208 Ų | 208 | 125.9 Ų | 125.9 | 82% | 0.816 | 64% | 0.637 | S | S | * | * | trans | -80.8 | 110.8 | 166.9 | -66.5 | -80.3 | 0 | 0 | 0 | 108 | ||||
| 62 | E | 92.2 | Very high | 91.3 | Very high | 157 Ų | 157 | 124.5 Ų | 124.5 | 73% | 0.734 | 63% | 0.634 | S | S | * | * | P | Polyproline II helix | trans | -100.5 | 135.9 | 175 | -65.4 | -65 | 151.5 | 0 | 0 | 109.4 | P60 | P60-E62 HydrophobicContact CG-CG 4.41Å; P60-E62 PolarHBondContact O-N 2.81Å |
| 63 | D | 91.4 | Very high | 90.8 | Very high | 161 Ų | 161 | 123.3 Ų | 123.3 | 86% | 0.861 | 62% | 0.624 | S | S | * | * | P | Polyproline II helix | trans | -78 | 139.2 | 176.5 | -69.7 | -40.4 | 0 | 0 | 0 | 110.7 | ||
| 64 | V | 87.4 | Confident | 89.8 | Confident | 124 Ų | 124 | 124.8 Ų | 124.8 | 75% | 0.752 | 64% | 0.636 | S | S | * | * | P | Polyproline II helix | trans | -85.6 | 127.5 | 170.9 | -178 | 0 | 0 | 0 | 0 | 108.4 | I66 | V64-I66 PolarHBondContact O-N 2.96Å; V64-I66 VanDerWaalsContact O-N 3.14Å |
| 65 | T | 90.2 | Very high | 88.5 | Confident | 138 Ų | 138 | 125.7 Ų | 125.7 | 85% | 0.847 | 65% | 0.647 | S | S | * | * | trans | -70.5 | 108.6 | 174.3 | 54.3 | 0 | 0 | 0 | 0 | 110 | ||||
| 66 | I | 89.3 | Confident | 87.3 | Confident | 102 Ų | 102 | 121.1 Ų | 121.1 | 52% | 0.523 | 63% | 0.633 | S | S | . | * | trans | -97.2 | 130.8 | 176 | -52.8 | 179.2 | 0 | 0 | 0 | 109.1 | V64 L68 L71 | V64-I66 PolarHBondContact O-N 2.96Å; V64-I66 VanDerWaalsContact O-N 3.14Å; I66-L68 PolarHBondContact O-N 3.19Å; I66-L68 VanDerWaalsContact O-N 3.13Å; I66-L71 HydrophobicContact CB-CD1 4.38Å; I66-L71 HydrophobicContact CG2-CD1 3.95Å; I66-L71 HydrophobicContact CG2-CD2 3.89Å; I66-L71 HydrophobicContact CG2-CG 3.93Å | ||
| 67 | P | 90.9 | Very high | 85.7 | Confident | 66 Ų | 66 | 122 Ų | 122 | 43% | 0.429 | 64% | 0.642 | S | S | . | * | trans | -61.4 | 114.7 | 173.6 | -20.8 | 32.5 | 0 | 0 | 0 | 111.1 | S69 E70 | P67-S69 PolarHBondContact O-N 2.96Å; P67-S69 VanDerWaalsContact O-N 3.15Å; P67-E70 HydrophobicContact CB-CG 4.22Å; P67-E70 PolarHBondContact O-N 2.95Å | ||
| 68 | L | 87.4 | Confident | 84 | Confident | 140 Ų | 140 | 124.1 Ų | 124.1 | 73% | 0.733 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -60.1 | -28.6 | -178.9 | -62.7 | 179.9 | 0 | 0 | 0 | 112.8 | I66 E70 L71 | I66-L68 PolarHBondContact O-N 3.19Å; I66-L68 VanDerWaalsContact O-N 3.13Å; L68-E70 PolarHBondContact O-N 2.9Å; L68-L71 HydrophobicContact CD2-CD1 4.13Å; L68-L71 PolarHBondContact O-N 3.17Å; L68-L71 VanDerWaalsContact O-N 3.14Å |
| 69 | S | 88.3 | Confident | 82.3 | Confident | 55 Ų | 55 | 118.7 Ų | 118.7 | 39% | 0.385 | 66% | 0.657 | S | S | . | * | G | 310 helix | trans | -64.5 | -23.2 | 177.6 | 59.7 | 0 | 0 | 0 | 0 | 113.9 | P67 S84 V85 K86 | P67-S69 PolarHBondContact O-N 2.96Å; P67-S69 VanDerWaalsContact O-N 3.15Å; S69-S84 WeakPolarHBondContact O-CB 3.3Å; S69-V85 PolarHBondContact O-N 2.78Å; S69-K86 VanDerWaalsContact O-CB 3.27Å; S69-K86 WeakPolarHBondContact O-CB 3.27Å; S69-K86 PolarHBondContact O-N 3.39Å |
| 70 | E | 86.6 | Confident | 81 | Confident | 123 Ų | 123 | 114.8 Ų | 114.8 | 58% | 0.575 | 65% | 0.653 | S | S | * | * | G | 310 helix | trans | -92.9 | -8.4 | 178.3 | -63.8 | -174.7 | 176.6 | 0 | 0 | 112.3 | P67 L68 S84 | P67-E70 HydrophobicContact CB-CG 4.22Å; P67-E70 PolarHBondContact O-N 2.95Å; L68-E70 PolarHBondContact O-N 2.9Å; E70-S84 WeakPolarHBondContact O-CB 3.3Å |
| 71 | L | 88.8 | Confident | 79.6 | Confident | 68 Ų | 68 | 112.1 Ų | 112.1 | 36% | 0.356 | 64% | 0.637 | S | S | . | * | S | Bend | trans | -89.1 | 149.9 | 175.6 | -64.9 | 179.7 | 0 | 0 | 0 | 110.4 | I66 L68 V85 | I66-L71 HydrophobicContact CB-CD1 4.38Å; I66-L71 HydrophobicContact CG2-CD1 3.95Å; I66-L71 HydrophobicContact CG2-CD2 3.89Å; I66-L71 HydrophobicContact CG2-CG 3.93Å; L68-L71 HydrophobicContact CD2-CD1 4.13Å; L68-L71 PolarHBondContact O-N 3.17Å; L68-L71 VanDerWaalsContact O-N 3.14Å; L71-V85 PolarHBondContact O-N 3.49Å |
| 72 | P | 86.7 | Confident | 78.9 | Confident | 70 Ų | 70 | 109 Ų | 109 | 46% | 0.455 | 64% | 0.639 | S | S | . | * | P | Polyproline II helix | trans | -67.3 | 154.8 | 169 | 29.6 | -34.2 | 0 | 0 | 0 | 110.5 | A74 E83 | P72-A74 PolarHBondContact O-N 2.86Å; P72-E83 WeakPolarHBondContact CA-O 3.16Å |
| 73 | E | 83.8 | Confident | 78.4 | Confident | 95 Ų | 95 | 102.8 Ų | 102.8 | 44% | 0.444 | 61% | 0.61 | S | S | . | * | P | Polyproline II helix | trans | -61.1 | 135.3 | 175 | -67.5 | -171.9 | 149.9 | 0 | 0 | 111.3 | E75 Q76 V85 | E73-E75 VanDerWaalsContact C-N 3.28Å; E73-E75 PolarHBondContact O-N 3.15Å; E73-Q76 HydrophobicContact CB-CG 4.33Å; E73-V85 HydrophobicContact CG-CG2 3.71Å |
| 74 | A | 73.8 | Confident | 78.3 | Confident | 107 Ų | 107 | 95.7 Ų | 95.7 | 88% | 0.884 | 57% | 0.574 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -69.1 | -23.8 | -177.4 | 0 | 0 | 0 | 0 | 0 | 113.8 | P72 | P72-A74 PolarHBondContact O-N 2.86Š|
| 75 | E | 67.1 | Low | 78.3 | Confident | 183 Ų | 183 | 91.6 Ų | 91.6 | 86% | 0.855 | 55% | 0.549 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -106.1 | 40.2 | -170.8 | -67.3 | -90.7 | 134.5 | 0 | 0 | 112.4 | E73 D77 | E73-E75 VanDerWaalsContact C-N 3.28Å; E73-E75 PolarHBondContact O-N 3.15Å; E75-D77 VanDerWaalsContact C-N 3.25Å; E75-D77 PolarHBondContact O-N 3.46Å |
| 76 | Q | 66.6 | Low | 78.3 | Confident | 57 Ų | 57 | 89.8 Ų | 89.8 | 27% | 0.266 | 53% | 0.529 | S | S | . | . | trans | -78 | 79 | 172 | -68.8 | -171.8 | 2.5 | 0 | 0 | 111 | E73 N78 S81 | E73-Q76 HydrophobicContact CB-CG 4.33Å; Q76-N78 PolarHBondContact O-N 3.4Å; Q76-S81 VanDerWaalsContact CD-O 3.24Å; Q76-S81 VanDerWaalsContact NE2-CB 3.34Å; Q76-S81 PolarHBondContact NE2-O 3.47Å; Q76-S81 VanDerWaalsContact OE1-CA 3.27Å; Q76-S81 PolarHBondContact OE1-O 3.2Å | ||
| 77 | D | 61.1 | Low | 78.3 | Confident | 166 Ų | 166 | 90.1 Ų | 90.1 | 89% | 0.888 | 53% | 0.529 | S | S | * | . | S | Bend | trans | -59.7 | -26.5 | 172.6 | -174.2 | 32.3 | 0 | 0 | 0 | 111.9 | E75 G79 | E75-D77 VanDerWaalsContact C-N 3.25Å; E75-D77 PolarHBondContact O-N 3.46Å; D77-G79 PolarHBondContact O-N 3.46Å |
| 78 | N | 60.3 | Low | 78.1 | Confident | 156 Ų | 156 | 90.7 Ų | 90.7 | 83% | 0.834 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -100.9 | 74.2 | 175.8 | -159.7 | 33.4 | 0 | 0 | 0 | 110.2 | Q76 G80 | Q76-N78 PolarHBondContact O-N 3.4Å; N78-G80 PolarHBondContact O-N 2.87Å; N78-G80 VanDerWaalsContact O-N 3.11Å |
| 79 | G | 59.5 | Low | 78.1 | Confident | 76 Ų | 76 | 91.5 Ų | 91.5 | 78% | 0.784 | 53% | 0.526 | S | S | * | . | S | Bend | trans | -38.4 | 114.3 | -169.9 | 0 | 0 | 0 | 0 | 0 | 114.4 | D77 | D77-G79 PolarHBondContact O-N 3.46Š|
| 80 | G | 63.9 | Low | 78.3 | Confident | 71 Ų | 71 | 95.7 Ų | 95.7 | 73% | 0.732 | 54% | 0.541 | S | S | * | . | trans | 145.7 | 32.2 | 164.1 | 0 | 0 | 0 | 0 | 0 | 118.8 | N78 | N78-G80 PolarHBondContact O-N 2.87Å; N78-G80 VanDerWaalsContact O-N 3.11Å | ||
| 81 | S | 63.8 | Low | 78.4 | Confident | 32 Ų | 32 | 95.3 Ų | 95.3 | 22% | 0.224 | 54% | 0.537 | C | S | . | . | trans | -116.3 | 103.9 | 158.4 | -148.7 | 0 | 0 | 0 | 0 | 113 | Q76 E83 | Q76-S81 VanDerWaalsContact CD-O 3.24Å; Q76-S81 VanDerWaalsContact NE2-CB 3.34Å; Q76-S81 PolarHBondContact NE2-O 3.47Å; Q76-S81 VanDerWaalsContact OE1-CA 3.27Å; Q76-S81 PolarHBondContact OE1-O 3.2Å; S81-E83 PolarHBondContact O-N 3.44Å; S81-E83 VanDerWaalsContact OG-CD 3.23Å; S81-E83 WeakPolarHBondContact OG-CG 3.18Å; S81-E83 PolarHBondContact OG-OE1 2.85Å | ||
| 82 | T | 78.2 | Confident | 78.5 | Confident | 142 Ų | 142 | 103.5 Ų | 103.5 | 87% | 0.871 | 56% | 0.564 | S | S | * | * | trans | -74.7 | 6.9 | 169.3 | 60.2 | 0 | 0 | 0 | 0 | 112.4 | ||||
| 83 | E | 82.3 | Confident | 78.4 | Confident | 26 Ų | 26 | 105.2 Ų | 105.2 | 12% | 0.121 | 58% | 0.577 | C | S | . | * | trans | -77 | 144.2 | 179.3 | 80.5 | -170.7 | 98.4 | 0 | 0 | 111 | P72 S81 E87 Q88 K91 | P72-E83 WeakPolarHBondContact CA-O 3.16Å; S81-E83 PolarHBondContact O-N 3.44Å; S81-E83 VanDerWaalsContact OG-CD 3.23Å; S81-E83 WeakPolarHBondContact OG-CG 3.18Å; S81-E83 PolarHBondContact OG-OE1 2.85Å; E83-E87 HydrophobicContact CB-CB 4.42Å; E83-Q88 HydrophobicContact CG-CB 4.22Å; E83-Q88 VanDerWaalsContact OE2-CA 3.25Å; E83-Q88 WeakPolarHBondContact OE2-CA 3.3Å; E83-Q88 WeakPolarHBondContact OE2-CB 3.27Å; E83-Q88 PolarHBondContact OE2-N 2.77Å; E83-K91 IonicContact OE1-NZ 2.65Å; E83-K91 PolarHBondContact OE1-NZ 3.08Å; E83-K91 WeakPolarHBondContact OE2-CE 3.47Å; E83-K91 IonicContact OE2-NZ 2.8Å; E83-K91 PolarHBondContact OE2-NZ 2.67Å | ||
| 84 | S | 87.9 | Confident | 78.7 | Confident | 13 Ų | 13 | 106.3 Ų | 106.3 | 9% | 0.091 | 59% | 0.586 | C | S | . | * | trans | -73.3 | 154.5 | 172.7 | 64 | 0 | 0 | 0 | 0 | 111.3 | S69 E70 K86 E87 Q88 | S69-S84 WeakPolarHBondContact O-CB 3.3Å; E70-S84 WeakPolarHBondContact O-CB 3.3Å; S84-K86 PolarHBondContact O-N 3.48Å; S84-K86 VanDerWaalsContact O-N 3.17Å; S84-E87 PolarHBondContact N-OE2 2.82Å; S84-E87 PolarHBondContact O-N 3.46Å; S84-E87 VanDerWaalsContact OG-CD 3.23Å; S84-E87 VanDerWaalsContact OG-CG 3.22Å; S84-E87 WeakPolarHBondContact OG-CG 3.32Å; S84-E87 PolarHBondContact OG-N 3.48Å; S84-E87 PolarHBondContact OG-OE2 3.03Å; S84-Q88 PolarHBondContact O-N 3.25Å; S84-Q88 VanDerWaalsContact O-N 3.17Å | ||
| 85 | V | 88 | Confident | 79.4 | Confident | 38 Ų | 38 | 107.3 Ų | 107.3 | 23% | 0.23 | 58% | 0.576 | C | S | . | * | H | α-helix | trans | -50 | -43.8 | 175.7 | 174.9 | 0 | 0 | 0 | 0 | 111.3 | S69 L71 E73 E87 Q88 E89 | S69-V85 PolarHBondContact O-N 2.78Å; L71-V85 PolarHBondContact O-N 3.49Å; E73-V85 HydrophobicContact CG-CG2 3.71Å; V85-E87 VanDerWaalsContact C-N 3.33Å; V85-E87 PolarHBondContact O-N 2.88Å; V85-Q88 PolarHBondContact O-N 2.98Å; V85-E89 WeakPolarHBondContact O-CG 3.37Å; V85-E89 PolarHBondContact O-N 2.84Å; V85-E89 VanDerWaalsContact O-N 3.14Å |
| 86 | K | 90.3 | Very high | 80.3 | Confident | 99 Ų | 99 | 101.3 Ų | 101.3 | 43% | 0.43 | 56% | 0.558 | S | S | . | * | H | α-helix | trans | -61.8 | -38 | 179.6 | -178.7 | 178.9 | 174.6 | -176 | 0 | 113.2 | S69 S84 M90 | S69-K86 VanDerWaalsContact O-CB 3.27Å; S69-K86 WeakPolarHBondContact O-CB 3.27Å; S69-K86 PolarHBondContact O-N 3.39Å; S84-K86 PolarHBondContact O-N 3.48Å; S84-K86 VanDerWaalsContact O-N 3.17Å; K86-M90 HydrophobicContact CD-CE 4.4Å; K86-M90 HydrophobicContact CG-CE 3.89Å; K86-M90 WeakPolarHBondContact O-CG 3.49Å; K86-M90 PolarHBondContact O-N 3.25Å |
| 87 | E | 90 | Very high | 81.2 | Confident | 110 Ų | 110 | 103.8 Ų | 103.8 | 51% | 0.514 | 57% | 0.572 | S | S | . | * | H | α-helix | trans | -70.2 | -37.5 | 179.1 | -73.5 | 165.4 | 154.8 | 0 | 0 | 111.3 | E83 S84 V85 M90 K91 | E83-E87 HydrophobicContact CB-CB 4.42Å; S84-E87 PolarHBondContact N-OE2 2.82Å; S84-E87 PolarHBondContact O-N 3.46Å; S84-E87 VanDerWaalsContact OG-CD 3.23Å; S84-E87 VanDerWaalsContact OG-CG 3.22Å; S84-E87 WeakPolarHBondContact OG-CG 3.32Å; S84-E87 PolarHBondContact OG-N 3.48Å; S84-E87 PolarHBondContact OG-OE2 3.03Å; V85-E87 VanDerWaalsContact C-N 3.33Å; V85-E87 PolarHBondContact O-N 2.88Å; E87-M90 PolarHBondContact O-N 2.84Å; E87-K91 PolarHBondContact O-N 2.78Å |
| 88 | Q | 86.1 | Confident | 82.3 | Confident | 78 Ų | 78 | 103.8 Ų | 103.8 | 36% | 0.364 | 57% | 0.567 | S | S | . | * | H | α-helix | trans | -65 | -42.3 | 178.1 | -166 | 174.5 | 6.7 | 0 | 0 | 111.9 | E83 S84 V85 M90 K91 | E83-Q88 HydrophobicContact CG-CB 4.22Å; E83-Q88 VanDerWaalsContact OE2-CA 3.25Å; E83-Q88 WeakPolarHBondContact OE2-CA 3.3Å; E83-Q88 WeakPolarHBondContact OE2-CB 3.27Å; E83-Q88 PolarHBondContact OE2-N 2.77Å; S84-Q88 PolarHBondContact O-N 3.25Å; S84-Q88 VanDerWaalsContact O-N 3.17Å; V85-Q88 PolarHBondContact O-N 2.98Å; Q88-M90 PolarHBondContact O-N 2.89Å; Q88-K91 WeakPolarHBondContact O-CB 3.18Å; Q88-K91 PolarHBondContact O-N 3.04Å; Q88-K91 VanDerWaalsContact O-N 3.1Å |
| 89 | E | 87.9 | Confident | 83.4 | Confident | 157 Ų | 157 | 99.8 Ų | 99.8 | 73% | 0.734 | 55% | 0.551 | S | S | * | * | H | α-helix | trans | -62.9 | -27.1 | 176.3 | -70.5 | 178.7 | 168.6 | 0 | 0 | 113.3 | V85 K91 | V85-E89 WeakPolarHBondContact O-CG 3.37Å; V85-E89 PolarHBondContact O-N 2.84Å; V85-E89 VanDerWaalsContact O-N 3.14Å; E89-K91 VanDerWaalsContact C-N 3.32Å |
| 90 | M | 91.1 | Very high | 84.3 | Confident | 143 Ų | 143 | 101.9 Ų | 101.9 | 70% | 0.704 | 54% | 0.544 | S | S | * | . | T | Hydrogen-bonded Turn | trans | -82.3 | -7.9 | 177.5 | -68.5 | -176.3 | -175.6 | 0 | 0 | 113.3 | K86 E87 Q88 | K86-M90 HydrophobicContact CD-CE 4.4Å; K86-M90 HydrophobicContact CG-CE 3.89Å; K86-M90 WeakPolarHBondContact O-CG 3.49Å; K86-M90 PolarHBondContact O-N 3.25Å; E87-M90 PolarHBondContact O-N 2.84Å; Q88-M90 PolarHBondContact O-N 2.89Å |
| 91 | K | 89.9 | Confident | 84.5 | Confident | 115 Ų | 115 | 105.8 Ų | 105.8 | 50% | 0.5 | 54% | 0.542 | S | S | . | . | S | Bend | trans | -76.6 | 132.7 | 176.6 | -71.6 | 176.9 | 176.5 | 174.4 | 0 | 110.5 | E83 E87 Q88 E89 S93 | E83-K91 IonicContact OE1-NZ 2.65Å; E83-K91 PolarHBondContact OE1-NZ 3.08Å; E83-K91 WeakPolarHBondContact OE2-CE 3.47Å; E83-K91 IonicContact OE2-NZ 2.8Å; E83-K91 PolarHBondContact OE2-NZ 2.67Å; E87-K91 PolarHBondContact O-N 2.78Å; Q88-K91 WeakPolarHBondContact O-CB 3.18Å; Q88-K91 PolarHBondContact O-N 3.04Å; Q88-K91 VanDerWaalsContact O-N 3.1Å; E89-K91 VanDerWaalsContact C-N 3.32Å; K91-S93 PolarHBondContact O-N 3.36Å |
| 92 | W | 89.2 | Confident | 84.5 | Confident | 240 Ų | 240 | 112.4 Ų | 112.4 | 91% | 0.909 | 57% | 0.57 | S | S | * | * | trans | -85.8 | 95.7 | 172 | -136.2 | 40.6 | 0 | 0 | 0 | 109.1 | ||||
| 93 | S | 85.6 | Confident | 83.7 | Confident | 105 Ų | 105 | 111.9 Ų | 111.9 | 73% | 0.734 | 56% | 0.562 | S | S | * | * | trans | -88.8 | -9.8 | -177.3 | -56 | 0 | 0 | 0 | 0 | 114.2 | K91 L95 | K91-S93 PolarHBondContact O-N 3.36Å; S93-L95 PolarHBondContact O-N 2.94Å | ||
| 94 | D | 90.8 | Very high | 82.7 | Confident | 119 Ų | 119 | 115.1 Ų | 115.1 | 64% | 0.636 | 58% | 0.584 | S | S | * | * | trans | -82 | 116.6 | 179.8 | -174.1 | 20.5 | 0 | 0 | 0 | 111.4 | A96 | D94-A96 PolarHBondContact OD1-N 3.15Š| ||
| 95 | L | 88.1 | Confident | 81.6 | Confident | 127 Ų | 127 | 119.3 Ų | 119.3 | 67% | 0.665 | 61% | 0.61 | S | S | * | * | trans | -111.3 | 3.1 | 179.3 | -63.7 | 176.8 | 0 | 0 | 0 | 112.7 | S93 L97 | S93-L95 PolarHBondContact O-N 2.94Å; L95-L97 HydrophobicContact CB-CD1 4.16Å; L95-L97 HydrophobicContact CB-CD2 4.49Å; L95-L97 HydrophobicContact CB-CG 3.83Å; L95-L97 HydrophobicContact CD1-CD1 4.24Å; L95-L97 PolarHBondContact O-N 2.85Å | ||
| 96 | A | 86.4 | Confident | 80.3 | Confident | 58 Ų | 58 | 124.9 Ų | 124.9 | 48% | 0.479 | 64% | 0.639 | S | S | . | * | trans | 51.3 | 24.3 | -178.1 | 0 | 0 | 0 | 0 | 0 | 115.5 | D94 Q98 S99 | D94-A96 PolarHBondContact OD1-N 3.15Å; A96-Q98 PolarHBondContact O-N 3.31Å; A96-Q98 VanDerWaalsContact O-N 3.11Å; A96-S99 PolarHBondContact O-N 2.85Å | ||
| 97 | L | 85.1 | Confident | 79 | Confident | 109 Ų | 109 | 126.3 Ų | 126.3 | 57% | 0.571 | 66% | 0.656 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -64.9 | -18.2 | -177 | -63.7 | 175.8 | 0 | 0 | 0 | 113.4 | L95 S99 L100 | L95-L97 HydrophobicContact CB-CD1 4.16Å; L95-L97 HydrophobicContact CB-CD2 4.49Å; L95-L97 HydrophobicContact CB-CG 3.83Å; L95-L97 HydrophobicContact CD1-CD1 4.24Å; L95-L97 PolarHBondContact O-N 2.85Å; L97-S99 PolarHBondContact O-N 3.46Å; L97-L100 HydrophobicContact CD2-CD1 3.87Å; L97-L100 WeakPolarHBondContact O-CB 3.41Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-L100 VanDerWaalsContact O-N 3.12Å |
| 98 | Q | 84.1 | Confident | 77.8 | Confident | 166 Ų | 166 | 124.3 Ų | 124.3 | 78% | 0.776 | 67% | 0.665 | S | S | * | * | H | α-helix | trans | -59.1 | -35.4 | 176.3 | -61.2 | -179.1 | 22.6 | 0 | 0 | 111.7 | A96 L100 H101 | A96-Q98 PolarHBondContact O-N 3.31Å; A96-Q98 VanDerWaalsContact O-N 3.11Å; Q98-L100 PolarHBondContact O-N 2.95Å; Q98-H101 PolarHBondContact O-N 3.23Å; Q98-H101 VanDerWaalsContact O-N 3.12Å |
| 99 | S | 82.1 | Confident | 75.8 | Confident | 72 Ų | 72 | 130.8 Ų | 130.8 | 50% | 0.503 | 71% | 0.71 | S | S | . | * | H | α-helix | trans | -66.7 | -17.8 | 178.8 | -55 | 0 | 0 | 0 | 0 | 113.9 | A96 L97 N103 | A96-S99 PolarHBondContact O-N 2.85Å; L97-S99 PolarHBondContact O-N 3.46Å; S99-N103 PolarHBondContact O-ND2 3.41Å; S99-N103 VanDerWaalsContact O-ND2 3.15Å |
| 100 | L | 80.1 | Confident | 75.2 | Confident | 120 Ų | 120 | 129.5 Ų | 129.5 | 63% | 0.628 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -78.7 | -28.6 | 175 | -63.8 | 173.7 | 0 | 0 | 0 | 112.2 | L97 Q98 E102 N103 | L97-L100 HydrophobicContact CD2-CD1 3.87Å; L97-L100 WeakPolarHBondContact O-CB 3.41Å; L97-L100 PolarHBondContact O-N 3.43Å; L97-L100 VanDerWaalsContact O-N 3.12Å; Q98-L100 PolarHBondContact O-N 2.95Å; L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.4Å; L100-N103 PolarHBondContact O-N 3.06Å |
| 101 | H | 67.6 | Low | 74.4 | Confident | 152 Ų | 152 | 128.8 Ų | 128.8 | 70% | 0.704 | 71% | 0.709 | S | S | * | * | H | α-helix | trans | -73.5 | -27 | -175.5 | -137.1 | 151.6 | 0 | 0 | 0 | 112.6 | Q98 N103 T104 | Q98-H101 PolarHBondContact O-N 3.23Å; Q98-H101 VanDerWaalsContact O-N 3.12Å; H101-N103 VanDerWaalsContact C-N 3.3Å; H101-N103 PolarHBondContact O-N 3.36Å; H101-T104 PolarHBondContact O-OG1 3.26Å; H101-T104 VanDerWaalsContact O-OG1 3.1Å |
| 102 | E | 62.8 | Low | 73.5 | Confident | 171 Ų | 171 | 129.6 Ų | 129.6 | 80% | 0.799 | 72% | 0.721 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -77 | -16.9 | 178.6 | -64 | 179.1 | 170.8 | 0 | 0 | 113.1 | L100 | L100-E102 VanDerWaalsContact C-N 3.34Å; L100-E102 PolarHBondContact O-N 3.4Å |
| 103 | N | 61.2 | Low | 72.6 | Confident | 131 Ų | 131 | 123.1 Ų | 123.1 | 70% | 0.701 | 71% | 0.71 | S | S | * | * | T | Hydrogen-bonded Turn | trans | -94 | -0.5 | -177.4 | -77.3 | -55.6 | 0 | 0 | 0 | 114.2 | S99 L100 H101 P105 | S99-N103 PolarHBondContact O-ND2 3.41Å; S99-N103 VanDerWaalsContact O-ND2 3.15Å; L100-N103 PolarHBondContact O-N 3.06Å; H101-N103 VanDerWaalsContact C-N 3.3Å; H101-N103 PolarHBondContact O-N 3.36Å; N103-P105 VanDerWaalsContact O-CD 3.23Å; N103-P105 WeakPolarHBondContact O-CD 3.34Å |
| 104 | T | 62.1 | Low | 71.8 | Confident | 95 Ų | 95 | 124.2 Ų | 124.2 | 58% | 0.583 | 71% | 0.708 | S | S | * | * | S | Bend | trans | -80.2 | 110.8 | 169.1 | 46.9 | 0 | 0 | 0 | 0 | 109.2 | H101 N106 | H101-T104 PolarHBondContact O-OG1 3.26Å; H101-T104 VanDerWaalsContact O-OG1 3.1Å; T104-N106 PolarHBondContact O-N 3.33Å |
| 105 | P | 64.1 | Low | 70.5 | Confident | 100 Ų | 100 | 124.5 Ų | 124.5 | 65% | 0.649 | 71% | 0.713 | S | S | * | * | trans | -58.1 | 130.8 | 175.7 | 24 | -32.1 | 0 | 0 | 0 | 108.8 | N103 T107 | N103-P105 VanDerWaalsContact O-CD 3.23Å; N103-P105 WeakPolarHBondContact O-CD 3.34Å; P105-T107 PolarHBondContact O-N 2.92Å | ||
| 106 | N | 62.7 | Low | 69.2 | Low | 155 Ų | 155 | 124.4 Ų | 124.4 | 83% | 0.829 | 72% | 0.717 | S | S | * | * | trans | -63.1 | 78 | 170 | 58.7 | -5.9 | 0 | 0 | 0 | 109.9 | T104 G108 | T104-N106 PolarHBondContact O-N 3.33Å; N106-G108 PolarHBondContact O-N 3.14Å | ||
| 107 | T | 61.8 | Low | 67.9 | Low | 130 Ų | 130 | 129.5 Ų | 129.5 | 80% | 0.798 | 74% | 0.735 | S | S | * | * | trans | -73.1 | 74.2 | 168.6 | 54.2 | 0 | 0 | 0 | 0 | 108.4 | P105 | P105-T107 PolarHBondContact O-N 2.92Š| ||
| 108 | G | 64.8 | Low | 66.5 | Low | 68 Ų | 68 | 131.2 Ų | 131.2 | 70% | 0.701 | 75% | 0.749 | S | S | * | * | trans | -83.9 | 107.8 | 160.6 | 0 | 0 | 0 | 0 | 0 | 108.9 | N106 | N106-G108 PolarHBondContact O-N 3.14Š| ||
| 109 | T | 44.6 | Very low | 64.9 | Low | 214 Ų | 214 | 128 Ų | 128 | 100% | 1.313 | 75% | 0.746 | S | S | * | * | trans | -164 | 0 | 142.6 | 45.3 | 0 | 0 | 0 | 0 | 108.2 |
Retrieved 109 of 109 residues in 435.9 ms
(Link to these results)